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在550~90cm~(-1)波数范围内,测量簇阴离子[Cl_2FeS_2MS_2M′(PPh_3)_2]~-(M=Mo,M′=Ag;M=W,M′=Cu,Ag)的付里叶变换红外光谱,并对标题簇阴离子[Cl_2FeS_2WS_2Cu(PPh_3)_2]~-,[Cl_2FeS_2MoS_2Ag(PPh_3)_2]~-和[Cl_2FeS_2WS_2Ag(PPh_3)_2]~-骨架的振动光谱给予经验指认。同时采用"诱导自洽方法计算振动力常数"程序,对簇骨架[Cl_2FeS_2MS_2M~′P_2]进行简正坐标分析。振动频率的计算值与观测值符合良好,两者平均偏差小于1.0%,计算结果支持了振动谱带的归属并表明计算力常数的合理性。文中还讨论了主要价键振动频率的变化规律。
In the range of 550 ~ 90cm ~ (-1), the charge of the cluster anions [Cl_2FeS_2MS_2M ’(PPh_3) _2] ~ (M = Mo, M’ = Ag; M = W, M ’= Cu, Ag) Leaf-transform infrared spectroscopy. The vibrational spectra of the title clusters anions [Cl_2FeS_2WS_2Cu (PPh_3) _2] ~, [Cl_2FeS_2MoS_2Ag (PPh_3) _2] ~ and [Cl_2FeS_2WS_2Ag (PPh_3) _2] At the same time, the procedure of “inducing self-consistent method to calculate vibrational force constant” was used to conduct the simple coordinate analysis of the cluster skeleton [Cl_2FeS_2MS_2M ~ ’P_2]. The calculated values of vibration frequency agree well with the observed values, and the average deviation between them is less than 1.0%. The calculated results support the assignment of vibrational bands and indicate the rationality of calculating the force constants. The article also discussed the main valence bond frequency changes.